2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-5241 |
| Compound Name: | 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 434 |
| Molecular Formula: | C25 H24 Cl N3 S |
| Smiles: | Cc1cc(C)c(cc1CSc1ccc(cc1)[Cl])c1c2CCCCc2nc(c1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 6.9457 |
| logD: | 6.9302 |
| logSw: | -6.8103 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.485 |
| InChI Key: | LUHCUJWPNKMMMO-UHFFFAOYSA-N |